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CNDO/S-CI calculation of the excited states of π-anions of the porphin series. Chlorin mono- and dianions

✍ Scribed by I. V. Filatov; V. G. Maslov; G. N. Sinyakov; A. M. Shul'ga

Publisher
Springer US
Year
1992
Tongue
English
Weight
255 KB
Volume
57
Category
Article
ISSN
0021-9037

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✍ H. Meyer; K.-W. Schulte; A. Schweig 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 466 KB

A procedure is outlined for the calculation of molecular static electric polnrizabilities ir! excited singkt 2nd triplet states using the "finite perturbation theory" in conjunction with the CNDO/S CI method. Numerical results for the sound and the three lowest excited singlet and triplet states of